Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.64 |
| ▸ | RAB9A | P51151 | 5/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.58 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.51 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30739586 | 0.85 | HDAC1 (0.75) | NPC1RAB9ASMN1; SMN2GAAKMT2A | |
| SCHEMBL19392337 | 0.82 | NPC1 (0.71) | NPC1RAB9ASMN1; SMN2GAAKMT2A | |
| SCHEMBL31108951 | 0.80 | HDAC2 (0.53) | KMT2AHDAC1HDAC3HDAC2NCOR2 | |
| SCHEMBL9695908 | 0.79 | GAA (0.74) | NPC1RAB9ASMN1; SMN2GAAKMT2A | |
| SCHEMBL1424488 | 0.79 | HDAC1 (0.77) | NPC1RAB9ASMN1; SMN2GAAKMT2A | |
| SCHEMBL6248954 | 0.79 | MEN1 (0.66) | NPC1RAB9AKMT2APOLBCA1 | |
| SCHEMBL5698492 | 0.79 | MEN1 (0.66) | NPC1RAB9AKMT2APOLBCA1 | |
| SCHEMBL6588596 | 0.79 | HDAC1 (0.77) | NPC1RAB9ASMN1; SMN2GAAKMT2A | |
| SCHEMBL30369924 | 0.79 | HDAC1 (0.77) | NPC1RAB9ASMN1; SMN2GAAKMT2A | |
| SCHEMBL12793565 | 0.78 | KMT2A (1.00) | SMN1; SMN2GAAKMT2ACYP1A2CYP3A4 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2258356-A2 | CHEMICAL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST DENGUE VIRUS AND OTHER FLAVIVIRUSES | Centro De Ingenieria Genetica Y Biotecnologia (CU) | 2010-12-08 | — | — | EP | disclosed |